SCHEMBL3083180

SCHEMBL3083180

CN1CCC(Oc2ccccc2)c2ccc(-c3ncccn3)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFRA3 O60609 2/20 0.39
RET P07949 2/20 0.39
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GFRA2 O00451 1/20 0.37
GFRA1 P56159 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
FFAR1 O14842 1/20 0.37
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A4 P31645 3/20 0.36
CHRM2 P08172 3/20 0.36
GHSR Q92847 3/20 0.36
MCHR1 Q99705 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3083522 0.90 KMT2A (0.38) SLC6A2SLC6A3SLC6A4CHRM2GHSR
SCHEMBL3073049 0.89 SSTR4 (0.40) GFRA3RETDYRK1ACLK4FFAR1
SCHEMBL3077908 0.89 MEN1 (0.39) GFRA3RETDYRK1ACLK4SLC6A4
SCHEMBL3088500 0.88 KMT2A (0.35) DYRK1ACLK4SLC6A2SLC6A3SLC6A4
SCHEMBL3074623 0.85 SSTR4 (0.37) SCN1ASCN2ASCN3ASLC6A2SLC6A3
SCHEMBL3093435 0.85 SSTR4 (0.37) SCN1ASCN2ASCN3AFFAR1SLC6A2
SCHEMBL3089215 0.84 SLC6A2 (0.51) GFRA3RETDYRK1AGFRA2GFRA1
SCHEMBL3077823 0.83 SLC6A2 (0.55) GFRA3RETDYRK1AFFAR1SLC6A2
SCHEMBL3076487 0.81 ROCK2 (0.53) GFRA3RET
SCHEMBL3075982 0.81 SCN1A (0.45) GFRA3RETSCN1ASCN2ASCN3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987252-B2 Aryloxy- and heteroaryloxy-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-24 US claimed
US-8987252-B2 Aryloxy- and heteroaryloxy-substituted tetrahydrobenzazepines and use thereof to block reuptake of norepinephrine, dopamine, and serotonin ALBANY MOLECULAR RESEARCH, INC. (US) 2015-03-24 US disclosed
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-19 US disclosed
EP-2146720-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR Technology, Inc. (US) 2010-01-27 EP disclosed
WO-2008141082-A1 ARYLOXY-AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN AMR TECHNOLOGY, INC. (US) 2008-11-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100210624-A1 ARYLOXY- AND HETEROARYLOXY-SUBSTITUTED TETRAHYDROBENZAZEPINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN ADRA2B, HTR2B, ADRA1B GFRA3 442/4885RET 1405/4885DYRK1A 918/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.